N-[5-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]ethanamide

Systemtic Name: N-[5-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]ethanamide Openeye Name: N-[5-[2-(4-nitrophenyl)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide CAS Name: N-[5-[[2-(4-nitrophenyl)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]acetamide IUPAC Name: N-[5-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide Traditional Name: N-[5-[[2-keto-2-(4-nitrophenyl)ethyl]thio]-1,3,4-thiadiazol-2-yl]acetamide Formula: C12H10N4O4S2 MolecularWeight: 338.3622

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NN=C(S1)SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=NN=C(S1)SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H10N4O4S2/c1-7(17)13-11-14-15-12(22-11)21-6-10(18)8-2-4-9(5-3-8)16(19)20/h2-5H,6H2,1H3,(H,13,14,17)